3-propan-2-yl-5-[[5-propan-2-yl-3-(4H-pyrimidin-3-yl)pyrazol-1-yl]methyl]-1,2-oxazole

C17H23N5O — CID 68876654

IUPAC3-propan-2-yl-5-[[5-propan-2-yl-3-(4H-pyrimidin-3-yl)pyrazol-1-yl]methyl]-1,2-oxazole
SMILESCC(C)c1cc(Cn2nc(N3C=NC=CC3)cc2C(C)C)on1
InChIInChI=1S/C17H23N5O/c1-12(2)15-8-14(23-20-15)10-22-16(13(3)4)9-17(19-22)21-7-5-6-18-11-21/h5-6,8-9,11-13H,7,10H2,1-4H3
InChIKeyVRTOOENXALNMAW-UHFFFAOYSA-N
MW313.41 g/mol
LogP3.53
Rot. Bonds5

About 3-propan-2-yl-5-[[5-propan-2-yl-3-(4H-pyrimidin-3-yl)pyrazol-1-yl]methyl]-1,2-oxazole

3-propan-2-yl-5-[[5-propan-2-yl-3-(4H-pyrimidin-3-yl)pyrazol-1-yl]methyl]-1,2-oxazole (PubChem CID 68876654) has the molecular formula C17H23N5O and a molecular weight of 313.41 g/mol. Its IUPAC name is 3-propan-2-yl-5-[[5-propan-2-yl-3-(4H-pyrimidin-3-yl)pyrazol-1-yl]methyl]-1,2-oxazole.

Molecular Properties

Compound Name3-propan-2-yl-5-[[5-propan-2-yl-3-(4H-pyrimidin-3-yl)pyrazol-1-yl]methyl]-1,2-oxazole
PubChem CID68876654
Molecular FormulaC17H23N5O
Molecular Weight313.41 g/mol
Exact Mass313.19
IUPAC Name3-propan-2-yl-5-[[5-propan-2-yl-3-(4H-pyrimidin-3-yl)pyrazol-1-yl]methyl]-1,2-oxazole
SMILESCC(C)c1cc(Cn2nc(N3C=NC=CC3)cc2C(C)C)on1
InChIInChI=1S/C17H23N5O/c1-12(2)15-8-14(23-20-15)10-22-16(13(3)4)9-17(19-22)21-7-5-6-18-11-21/h5-6,8-9,11-13H,7,10H2,1-4H3
InChIKeyVRTOOENXALNMAW-UHFFFAOYSA-N
XLogP3.53
TPSA59.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.41
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-5-[[5-propan-2-yl-3-(4H-pyrimidin-3-yl)pyrazol-1-yl]methyl]-1,2-oxazole?
The IUPAC name of 3-propan-2-yl-5-[[5-propan-2-yl-3-(4H-pyrimidin-3-yl)pyrazol-1-yl]methyl]-1,2-oxazole (CID 68876654) is 3-propan-2-yl-5-[[5-propan-2-yl-3-(4H-pyrimidin-3-yl)pyrazol-1-yl]methyl]-1,2-oxazole.
What is the SMILES notation for 3-propan-2-yl-5-[[5-propan-2-yl-3-(4H-pyrimidin-3-yl)pyrazol-1-yl]methyl]-1,2-oxazole?
The canonical SMILES for 3-propan-2-yl-5-[[5-propan-2-yl-3-(4H-pyrimidin-3-yl)pyrazol-1-yl]methyl]-1,2-oxazole is CC(C)c1cc(Cn2nc(N3C=NC=CC3)cc2C(C)C)on1.
What is the InChIKey of 3-propan-2-yl-5-[[5-propan-2-yl-3-(4H-pyrimidin-3-yl)pyrazol-1-yl]methyl]-1,2-oxazole?
The InChIKey is VRTOOENXALNMAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O/c1-12(2)15-8-14(23-20-15)10-22-16(13(3)4)9-17(19-22)21-7-5-6-18-11-21/h5-6,8-9,11-13H,7,10H2,1-4H3.
What are the key properties of 3-propan-2-yl-5-[[5-propan-2-yl-3-(4H-pyrimidin-3-yl)pyrazol-1-yl]methyl]-1,2-oxazole?
3-propan-2-yl-5-[[5-propan-2-yl-3-(4H-pyrimidin-3-yl)pyrazol-1-yl]methyl]-1,2-oxazole has a molecular weight of 313.41 g/mol, XLogP of 3.53, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-5-[[5-propan-2-yl-3-(4H-pyrimidin-3-yl)pyrazol-1-yl]methyl]-1,2-oxazole is sourced from PubChem (CID 68876654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).